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CS-W001157 4
Total: USD 88.00

1,1-Difluoro-1-phenylpropan-2-one

  • CAS No. 29548-91-2

  • Cat. No. CS-0517230
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1,1-Difluoro-1-phenylpropan-2-one|CS-0517230

Structure of 29548-91-2

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General Information

  • CAS No. 29548-91-2
  • Cat. No. CS-0517230
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O
  • Molecular Weight 170.16
  • Synonym(s) 1-phenyl-1,1-difluoropropan-2-one
  • SMILES CC(C(F)(F)C1=CC=CC=C1)=O

Description

1,1-Difluoro-1-phenylpropan-2-one features a sterically hindered ketone scaffold flanked by two fluorine atoms and a phenyl group, delivering enhanced stability and distinct electronic properties. This configuration enables efficient incorporation into synthetic routes requiring electron-deficient carbonyl centers, particularly in medicinal chemistry and fluorinated heterocycle synthesis.

Application

1,1-Difluoro-1-phenylpropan-2-one serves as a valuable electrophilic building block in synthetic organic chemistry, enabling the introduction of difluoromethyl and phenyl groups into complex molecular architectures. Its stability under standard reaction conditions and compatibility with diverse nucleophiles facilitate efficient C–C bond formation. The molecule functions effectively in transition-metal-catalyzed couplings and serves as a key intermediate in the synthesis of fluorinated heterocycles and pharmaceutical scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.3674
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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